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Ligand

NameCHEMBL52036
Molecular formulaC24H25N9
IUPAC nameN-butyl-8-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-7H-purin-6-amine
Molecular weight439.527
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50403220
L009471
SCHEMBL9544491
Inchi KeyAADRGVCQNSFPFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N9/c1-3-4-13-33(24-21-23(25-15-26-24)28-16(2)27-21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-29-31-32-30-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,25,26,27,28)(H,29,30,31,32)
PubChem CID44211263
ChEMBLCHEMBL52036
IUPHARN/A
BindingDB50403220
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
116Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359

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